DyTm3
Traditional Materials TRAMP-ID: mp-1184143 · Space group: P6_3/mmc (#194)
Basic Information
Formula
DyTm3
MP-ID
mp-1184143
Elements
2
Sites
8
Density
9.0751
g/cm³
Volume
244.94
ų
Cell a
7.1664
Å
Cell b
7.1664
Å
Cell c
5.5071
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 22)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 28.77 | 3.1031 | 24.1 | (2,0,-2,0) |
| 32.52 | 2.7535 | 23.4 | (0,0,0,2) |
| 33.14 | 2.7035 | 100.0 | (2,0,-2,1) |
| 43.96 | 2.0596 | 15.3 | (2,0,-2,2) |
| 50.97 | 1.7916 | 13.3 | (4,-2,-2,0) |
| 50.97 | 1.7916 | 6.7 | (2,-4,2,0) |
| 58.41 | 1.5800 | 20.0 | (2,0,-2,3) |
| 59.59 | 1.5516 | 2.1 | (4,0,-4,0) |
| 59.59 | 1.5516 | 1.0 | (4,-4,0,0) |
| 61.78 | 1.5017 | 7.5 | (2,2,-4,2) |
| 61.78 | 1.5017 | 15.0 | (4,-2,-2,2) |
| 62.16 | 1.4934 | 11.0 | (4,0,-4,1) |
| 62.16 | 1.4934 | 5.5 | (4,-4,0,1) |
| 68.10 | 1.3768 | 2.8 | (0,0,0,4) |
| 69.54 | 1.3517 | 3.9 | (4,0,-4,2) |
| 75.55 | 1.2585 | 3.1 | (2,0,-2,4) |
| 81.17 | 1.1850 | 5.2 | (4,0,-4,3) |
| 81.17 | 1.1850 | 2.6 | (4,-4,0,3) |
| 82.19 | 1.1729 | 1.7 | (6,-2,-4,0) |
| 84.45 | 1.1472 | 11.9 | (6,-2,-4,1) |
| 84.45 | 1.1472 | 2.4 | (4,-6,2,1) |
| 89.85 | 1.0917 | 8.5 | (4,-2,-2,4) |
Energy Properties
Formation Energy/atom
0.00172
eV/atom
Energy/atom
-34.33452
eV/atom
Energy above Hull
0.0017
eV/atom
Uncorrected Energy
-34.3345
eV/atom
Volume/atom
30.62
ų
c/a Ratio
0.7685
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tm · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.640
Family
Binary Alloy
Matrix Element
Tm · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1184143
Reference Citation
The crystal structure and related material properties of DyTm3 were obtained from the Materials Project database (MP-ID: mp-1184143, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_DyTm3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16638667
_cell_length_b 7.16638655
_cell_length_c 5.50708110
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999571
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyTm3
_chemical_formula_sum 'Dy2 Tm6'
_cell_volume 244.93598241
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy Dy0 1 0.33333300 0.66666700 0.75000100 1.0
Dy Dy1 1 0.66666500 0.33333300 0.25000000 1.0
Tm Tm2 1 0.16614233 0.33228265 0.25000000 1.0
Tm Tm3 1 0.66771535 0.83385667 0.25000000 1.0
Tm Tm4 1 0.16614233 0.83385767 0.25000000 1.0
Tm Tm5 1 0.83385767 0.66771635 0.75000100 1.0
Tm Tm6 1 0.33228465 0.16614233 0.75000100 1.0
Tm Tm7 1 0.83385767 0.16614133 0.75000100 1.0
